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Compound Detail

CHEMBL3949135

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CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Oc3ccccc3Cl)c1[N+](=O)[O-])C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3949135
Phase Preclinical
Structure Type MOL
InChI Key XDTMMCLHSDRYAL-HUUCEWRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.9
MW (Da)
5.17
ALogP
8
HBA
1
HBD
119.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN5O5
MW 475.93
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
27825553 10.1016/j.bmc.2016.10.030 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine